N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide

C11H19NO — CID 112729409

IUPACN-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide
SMILESCC=CC(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C11H19NO/c1-4-5-11(13)12(9(2)3)8-10-6-7-10/h4-5,9-10H,6-8H2,1-3H3
InChIKeyXXLGLNKZNTZMME-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds4

About N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide

N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide (PubChem CID 112729409) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide
PubChem CID112729409
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide
SMILESCC=CC(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C11H19NO/c1-4-5-11(13)12(9(2)3)8-10-6-7-10/h4-5,9-10H,6-8H2,1-3H3
InChIKeyXXLGLNKZNTZMME-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylprop-2-enamide
CID 115343797
2-[[(E)-but-2-enoyl]-propan-2-ylamino]acetic acid
CID 60831010
N-(2-amino-2-oxoethyl)-N-propan-2-ylbut-2-enamide
CID 78907143
N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
CID 79720456
3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821381
1-amino-N-(cyclopropylmethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 65465577
(2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide
CID 104903331
N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide
CID 76599938
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55000658
3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670304
1-amino-N-(cyclopropylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 55000242
N-cyclopentyl-N-(2-methylpropyl)but-2-enamide
CID 112725797

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide?
The IUPAC name of N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide (CID 112729409) is N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide is CC=CC(=O)N(CC1CC1)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide?
The InChIKey is XXLGLNKZNTZMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-11(13)12(9(2)3)8-10-6-7-10/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide?
N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 112729409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).